2-Methylvaleric acid
TL;DR: 2-Methylvaleric acid (CAS 97-61-0) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpentanoic acid
Also Known As: 2-Methylpentanoic acid, 2-METHYLVALERIC ACID, Pentanoic acid, 2-methyl-, Methylpropylacetic acid, 2-Pentanecarboxylic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08373 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 Da |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
| Density | 0.919-0.922 |
| Vapor Pressure | 0.44 [mmHg] |
| Refractive Index | 1.411-1.416 |
| Solubility | 1 ml in 1 ml 95% alcohol (in ethanol) |
| SMILES | CCCC(C)C(=O)O |
| InChIKey | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
Product Description
Applications: 2-Methylvaleric acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methylvaleric acid (CAS 97-61-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Methylvaleric acid is a heterocyclic building block identified by CAS number 97-61-0 and the molecular formula C6H12O2 and a molecular weight of 116.08 g/mol. Physically, the compound has a density of 0.919-0.922 g/cm³, a solubility: 1 ml in 1 ml 95% alcohol (in ethanol). It is also known as 2-Methylpentanoic acid and 2-METHYLVALERIC ACID.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Methylvaleric acid
Property Insights of 2-Methylvaleric acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylvaleric acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Methylvaleric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylvaleric acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methylvaleric acid?
The CAS number of 2-Methylvaleric acid is 97-61-0.
What is the molecular formula of 2-Methylvaleric acid?
The molecular formula of 2-Methylvaleric acid is C6H12O2.
What is the molecular weight of 2-Methylvaleric acid?
The molecular weight of 2-Methylvaleric acid is 116.08373 g/mol.
What are the applications of 2-Methylvaleric acid?
2-Methylvaleric acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2-Methylvaleric acid?
You can request a quote for 2-Methylvaleric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylvaleric acid?
Yes, CoreyChem provides custom synthesis services for 2-Methylvaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.